Day: October 15, 2021

An article Estimation of vapor pressures of liquid and solid organic and organometallic compounds at 298.15 K WOS:000542072400002 published article about STRUCTURE-PROPERTY RELATIONSHIPS; THERMOCHEMICAL PROPERTIES; THERMODYNAMIC PROPERTIES; VAPORIZATION ENTHALPIES; PARTITION-COEFFICIENTS; AQUEOUS SOLUBILITY; PREDICTION; SUBLIMATION; ACIDS; ALKYL in [Abraham, Michael H.] UCL, Dept Chem, 20 Gordon St, London WC1H OAJ, England; [Acree, William E., Jr.] Univ North Texas, Dept Chem, POB 305070, Denton, TX 76203 USA in 2020, Cited 77. Computed Properties of C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

Equations for vapor pressure VP, as log VP, at 298.15 K for a set of 1016 liquid organic and organometallic compounds have been constructed using Abraham descriptors. The regression standard deviations of 0.28 and 0.31 log units are excellent by comparison with literature values for large data sets. Similar equations for a set of 359 solid organic and organometallic compounds were very poor, but if carboxylic acids were excluded we obtained equations for 261 compounds with standard deviations of 0.62 and 0.66 log units. For the 98 carboxylic acids taken separately we obtained equations with standard deviations of 0.84 and 0.91 log units. Equations for the carboxylic acids were substantially different to those that excluded carboxylic acids, due, we suggest, to the particular dimeric structure of the crystalline carboxylic acids. (C) 2020 Published by Elsevier B.V.

About 3-Methylbenzoic acid, If you have any questions, you can contact Abraham, MH; Acree, WE or concate me.. Computed Properties of C8H8O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Product Details of 385-00-2. Authors Lin, TT; Li, JC; Liu, LP; Li, YQ; Jiang, HL; Chen, KX; Xu, P; Luo, C; Zhou, B in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER published article about in [Lin, Tingting; Jiang, Hualiang; Chen, Kaixian; Luo, Cheng] ShanghaiTech Univ, Shanghai Inst Adv Immunochem Studies, Shanghai 200031, Peoples R China; [Lin, Tingting; Jiang, Hualiang; Chen, Kaixian; Luo, Cheng] ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 200031, Peoples R China; [Lin, Tingting; Li, Jiacheng; Liu, Liping; Li, Yuanqing; Jiang, Hualiang; Chen, Kaixian; Xu, Pan; Luo, Cheng] Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Ctr Chem Biol,Drug Discovery & Design Ctr, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China; [Lin, Tingting; Zhou, Bing] Chinese Acad Sci, Shanghai Inst Mat Med, Dept Med Chem, State Key Lab Drug Res, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China; [Lin, Tingting; Li, Jiacheng; Liu, Liping; Li, Yuanqing; Jiang, Hualiang; Chen, Kaixian; Luo, Cheng; Zhou, Bing] Univ Chinese Acad Sci, 19 Yuquan Rd, Beijing 100049, Peoples R China in 2021, Cited 39. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

Cyclin-dependent kinases play significant roles in cell cycle progression and are promising targets for cancer therapy. However, most potent CDK inhibitors lack the balance between efficacy and safety because of poor selectivity. Given the roles of CDK2 in tumorigenesis, selective CDK2 inhibition may provide therapeutic benefits against certain cancer. In this study, a series of 4-benzoylamino-1H-pyrazole-3-carboxamide derivatives were designed, synthesized, and evaluated. The most selective compound DC-K2in212 in this series exhibited high potency towards CDK2 and had effective anti-proliferative activity against A2058 melanoma cell line and MV4-11 leukemia cell line while exhibiting low toxic effect on human normal cell lines MRC5 and LX2. The molecular modeling illustrated that compound DC-K2in212 had the similar binding mode with CDK2 as C-73, the most selective CDK2 inhibitor reported so far, which might account for selectivity against CDK2 over CDK1. Further biological studies revealed that compound DC-K2in212 suppressed CDK2-associated downstream signaling pathway, blocked cell cycle progression, and induced cellular apoptosis. Therefore, compound DC-K2in212 could serve as a potential CDK2 inhibitor for further development. (c) 2021 Elsevier Masson SAS. All rights reserved.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Lin, TT; Li, JC; Liu, LP; Li, YQ; Jiang, HL; Chen, KX; Xu, P; Luo, C; Zhou, B or concate me.. Product Details of 385-00-2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

I found the field of Chemistry very interesting. Saw the article Fe(III)-catalyzed oxidative coupling of alkylnitriles with aromatic carboxylic acids: Facile access to cyanomethyl esters published in 2019. Formula: C8H8O2, Reprint Addresses Sun, HM (corresponding author), Soochow Univ, Coll Chem Chem Engn & Mat Sci, Key Lab Organ Synth Jiangsu Prov, Suzhou 215123, Peoples R China.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

The first oxidative coupling of alkylnitriles with aromatic carboxylic acids using di-tert-butyl peroxide (DTBP) as oxidant was achieved under the catalysis of ionic Fe(III) complexes bearing an imidazolinium cation. This protocol features nontoxic iron catalysis, direct alpha-C(sp(3))-H bond oxidative esterification of alkylnitriles, non-prefunctionalized starting materials, and a broad substrate scope with outstanding steric hindrance tolerance, providing a novel, straightforward, and green approach toward cyanomethyl ester synthesis. (C) 2019 Elsevier Ltd. All rights reserved.

Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, D; Lu, B; Song, YL; Sun, HM; Shen, Q or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Product Details of 93-97-0. Recently I am researching about LANTHANIDE COMPLEXES; HIGHLY LUMINESCENT; CRYSTAL-STRUCTURE; ELECTROLUMINESCENCE; IONS, Saw an article supported by the University of the Free State; National Research Foundation of South AfricaNational Research Foundation – South Africa [UID 93214, UID 99139]; NRF. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Alexander, OT; Kroon, RE; Brink, A; Visser, HG. The CAS is 93-97-0. Through research, I have a further understanding and discovery of Benzoic anhydride

This work entails deep red emitting Eu-III based complexes with a variety of ternary beta-diketonate ligands and 1,10-phenanthroline as the ancillary ligand in the system. The solid state structure and spectroscopic analysis has been outlaid in terms of photoluminescence and crystallography. A luminescence quantum efficiency of 50% was obtained for the [tris-(4,4,4-trifluoro-1-chlorophenyl-butanedione)mono-(1,10-phenanthroline)europium(iii)] complexes. Moreover, complexes [tris-(2,2,6,6-tetramethyl-heptanedione)mono-(1,10-phenanthroline) europium(iii)] and {[hexa-(benzyl carboxylic acid) bis-(1,10-phenanthroline)di-europium(iii)]-mu-[kappa(2)-O,O ‘-(benzyl carboxylic acid)](2)} were found to also have quantum yields of 9% and 28% with respective sensitization efficiencies of 85%, 15% and 58%. These results were articulated with crystallographic details pertaining to the nature of coordination and the effect of steric and electronic properties thereof which somewhat impacts the Eu-N bond distances. A symmetry correlation was drawn between the crystallographic data and the photoluminescence data.

About Benzoic anhydride, If you have any questions, you can contact Alexander, OT; Kroon, RE; Brink, A; Visser, HG or concate me.. Product Details of 93-97-0

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recently I am researching about CYTOCHROME BC(1) COMPLEX; IRON-SULFUR PROTEIN; BC1 COMPLEX; DISCOVERY; SITE; FUNGICIDE; AMETOCTRADIN; RESISTANCE; MECHANISM; BINDING, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21502062]; Scientific Research Program Guiding Project of Hubei Provincial Department of Education [B2019135]; Teachers’ Scientific Research Ability Cultivation Fund, Hubei University of Arts and Science (Natural Science) [2018kypy001]; Open Foundation of Discipline of Hubei University of Arts and Science [XK2019038, XK2019039]. Published in PERGAMON-ELSEVIER SCIENCE LTD in OXFORD ,Authors: Cheng, H; Yang, L; Liu, HF; Zhang, R; Chen, C; Wu, Y; Jiang, W. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Recommanded Product: 3-Methylbenzoic acid

Mitochondrial complex III is one of the most promising targets for a number of pharmaceuticals and fungicides. Due to the wide-spread use of complex III-inhibiting fungicides, a considerable increase of resistance has occurred worldwide. Therefore, inhibitors with novel scaffolds and potent activity against complex III are still in great demand. In this article, a new series of amide compounds bearing the diaryl ether scaffold were designed and prepared, followed by the biological evaluation. Gratifyingly, several compounds demonstrated potent activity against succinate-cytochrome c reductase (SCR, a mixture of mitochondrial complex II and complex III), with compound 3w possessing the best inhibitory activity (IC50 = 0.91 +/- 0.09 mu mol/L). Additional studies verified that 3w was a new inhibitor of complex III. Moreover, computational simulations elucidated that 3w should bind to the Q(o) site of complex III. We believe this work will be valuable for the preparation and discovery of more complex III inhibitors.

About 3-Methylbenzoic acid, If you have any questions, you can contact Cheng, H; Yang, L; Liu, HF; Zhang, R; Chen, C; Wu, Y; Jiang, W or concate me.. Recommanded Product: 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

In 2019 J AM CHEM SOC published article about CARBOHYDRATE-RECOGNITION DOMAIN; GIANT GLYCOSIDASE INHIBITORS; DC-SIGN; EBOLA-VIRUS; CLICK CHEMISTRY; DENGUE VIRUS; CYCLOADDITION; GLYCOSYLATION; INFECTION; AFFINITY in [Ramos-Soriano, Javier; Illescas, Beatriz M.; Rodriguez-Perez, Laura; Martin, Nazario] Univ Complutense, Fac Quim, Dept Quim Organ, E-28040 Madrid, Spain; [Ramos-Soriano, Javier; Reina, Jose J.; de la Cruz, Noelia; Rojo, Javier] Univ Seville, CSIC, Inst Invest Quim, Glycosyst Lab, Av Americo Vespucio 49, Seville 41092, Spain; [Lasala, Fatima; Delgado, Rafael] Inst Invest Hosp, Lab Microbiol Mol, 12 Octubre Imasl2, Madrid 28041, Spain; [Martin, Nazario] IMDEA Nanosci, Campus Cantoblanco, Madrid 28049, Spain; [Reina, Jose J.] Univ Santiago de Compostela, Singular Res Ctr Chem Biol & Mol Mat CIQUS, Organ Chem Dept, Santiago De Compostela 15782, Spain in 2019, Cited 55. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0. SDS of cas: 93-97-0

After the last epidemic of the Zika virus (ZIKV) in Brazil that peaked in 2016, growing evidence has been demonstrated of the link between this teratogenic flavivirus and microcephaly cases. However, no vaccine or antiviral drug has been approved yet. ZIKV and Dengue viruses (DENV) entry to the host cell takes place through several receptors, including dendritic cell-specific intercellular adhesion molecule3-grabbing nonintegrin (DC-SIGN), so that the blockade of this receptor through multivalent glycoconjugates supposes a promising biological target to inhibit the infection process. In order to get enhanced multivalency in biocompatible systems, tridecafullerenes appended with up to 360 1,2-mannobiosides have been synthesized using a strain-promoted cycloaddition of azides to alkynes (SPAAC) strategy. These systems have been tested against ZIKV and DENV infection, showing an outstanding activity in the picomolar range.

About Benzoic anhydride, If you have any questions, you can contact Ramos-Soriano, J; Reina, JJ; Illescas, BM; de la Cruz, N; Rodriguez-Perez, L; Lasala, F; Rojo, J; Delgado, R; Martin, N or concate me.. SDS of cas: 93-97-0

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Computed Properties of C14H10O3. Authors Sakai, T; Matsuo, Y; Okuda, K; Hirota, K; Tsuji, M; Hirayama, T; Nagasawa, H in NATURE RESEARCH published article about in [Sakai, Takayuki; Tsuji, Mieko; Hirayama, Tasuku; Nagasawa, Hideko] Gifu Pharmaceut Univ, Lab Pharmaceut & Med Chem, Gifu, Gifu 5011196, Japan; [Matsuo, Yoshiyuki; Hirota, Kiichi] Kansai Med Univ, Inst Biomed Sci, Dept Human Stress Response Sci, 2-5-1 Shin Machi, Hirakata, Osaka 5731010, Japan; [Okuda, Kensuke] Kobe Pharmaceut Univ, Lab Bioorgan & Nat Prod Chem, 4-19-1 Motoyama Kita, Kobe, Hyogo 6588558, Japan in 2021, Cited 52. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

To develop antitumor drugs capable of targeting energy metabolism in the tumor microenvironment, we produced a series of potent new biguanide derivatives via structural modification of the arylbiguanide scaffold. We then conducted biological screening using hypoxia inducible factor (HIF)-1- and unfolded protein response (UPR)-dependent reporter assays and selective cytotoxicity assay under low glucose conditions. Homologation studies of aryl-(CH2)(n)-biguanides (n=0-6) yielded highly potent derivatives with an appropriate alkylene linker length (n=5, 6). The o-chlorophenyl derivative 7l (n=5) indicated the most potent inhibitory effects on HIF-1- and UPR-mediated transcriptional activation (IC50; 1.0 +/- 0.1 mu M, 7.5 +/- 0.1 mu M, respectively) and exhibited selective cytotoxicity toward HT29 cells under low glucose condition (IC50; 1.9 +/- 0.1 mu M). Additionally, the protein expression of HIF-1 alpha induced by hypoxia and of GRP78 and GRP94 induced by glucose starvation was markedly suppressed by the biguanides, thereby inhibiting angiogenesis. Metabolic flux and fluorescence-activated cell sorting analyses of tumor cells revealed that the biguanides strongly inhibited oxidative phosphorylation and activated compensative glycolysis in the presence of glucose, whereas both were strongly suppressed in the absence of glucose, resulting in cellular energy depletion and apoptosis. These findings suggest that the pleiotropic effects of these biguanides may contribute to more selective and effective killing of cancer cells due to the suppression of various stress adaptation systems in the tumor microenvironment.

Computed Properties of C14H10O3. About Benzoic anhydride, If you have any questions, you can contact Sakai, T; Matsuo, Y; Okuda, K; Hirota, K; Tsuji, M; Hirayama, T; Nagasawa, H or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recommanded Product: 2,6-Difluorobenzoic acid. Authors Wang, R; Liu, H; You, YY; Wang, XY; Lv, BB; Cao, LQ; Xue, JY; Xu, YG; Shi, L in PERGAMON-ELSEVIER SCIENCE LTD published article about in [Wang, Ru; Liu, Hu; You, Yuan-Yuan; Wang, Xin-Yu; Lv, Bing-Bing; Cao, Li-Qin; Xu, Yun-Gen; Shi, Lei] China Pharmaceut Univ, Dept Med Chem, Jiangsu Key Lab Drug Design & Optimizat, Nanjing 210009, Peoples R China; [Xue, Jia-Yu] Jiangsu Prov & Chinese Acad Sci, Inst Bot, Jiangsu Prov Key Lab Plant Ex Situ Conservat, Nanjing 210014, Peoples R China in 2021, Cited 29. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

VEGF/VEGFR-2 signaling plays a critical part in tumor angiogenesis. Inhibition of this pathway has been considered as a promising approach for cancer treatment. In this work, a series of 6,7-dimethoxy-4-anilinoquinazoline derivatives bearing diarylamide moiety were designed, synthesized and evaluated as potent inhibitors of VEGFR-2 kinase. Their in vitro antiproliferation activities against two human cancer cell lines Hep-G2 and MCF-7 have also been determined. Among them, compound 14b exhibited the most potent inhibitory activity against VEGFR-2 with IC50 value of 0.016 +/- 0.002 mu M and it showed the most potent antiproliferative effect against Hep-G2 and MCF-7 with IC50 values at low-micromolar range. Molecular docking studies revealed that these compounds represented by the most potent compound 14b could bind well to the ATP-binding site of VEGFR-2, which suggested that compound 14b could be a potential anticancer agent targeting VEGFR-2.

Recommanded Product: 2,6-Difluorobenzoic acid. About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Wang, R; Liu, H; You, YY; Wang, XY; Lv, BB; Cao, LQ; Xue, JY; Xu, YG; Shi, L or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Authors Kansiz, S; Qadir, AM; Dege, N; Faizi, SH in ELSEVIER published article about in [Kansiz, Sevgi] Samsun Univ, Dept Fundamental Sci, Fac Engn, TR-55420 Samsun, Turkey; [Qadir, Adnan M.] Salahaddin Univ, Coll Sci, Dept Chem, Erbil 44001, Iraq; [Dege, Necmi] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Samsun, Turkey; [Faizi, Serajul Haque] BRA Bihar Univ, Langat Singh Coll, PG Dept Chem, Muzaffarpur 842001, Bihar, India in 2021, Cited 42. HPLC of Formula: C8H8O2. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

In this study, two new copper (II) carboxylate complexes, [Cu(4-mba)(2) (tmeda)](1) and [Cu(3mba)(2)(H2O)(2)(tmeda)](2) (4-mbaH = 4-methylbenzoic acid, 3-mbaH = 3-methylbenzoic acid, tmeda = N,N,N’,N’-tetramethylethyleneamine) were synthesized. The structures and properties of the complexes were determined by X-ray single crystal diffraction method and FT-IR spectroscopy. While the crystal packing of the complex 1 is stabilized by C-H center dot center dot center dot O hydrogen bonds, in the complex 2, the molecules are connected to each other by C-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds. The optimized structures were formed using density functional theory (DFT) at the B3LYP level within the 6-311G(d,p) and LAN2DZ basis sets. Their Hirshfeld surface analyses were performed for the detailed investigation of all the contacts involved in the crystal packing. 2D fingerprint plots and Hirshfeld surface analyses signify important interactions in the crystal packing [H center dot center dot center dot H (64.2%), C center dot center dot center dot H/H center dot center dot center dot C (21.1%) and O center dot center dot center dot H/H center dot center dot center dot O (14.7%) contacts for [Cu(4-mba) 2(tmeda)], while [Cu(3-mba)(2)(H2O)(2)(tmeda)] showed H center dot center dot center dot H (67.3%), C center dot center dot center dot H/H center dot center dot center dot C (21.8%) and O center dot center dot center dot H/H center dot center dot center dot O (10.9%) contacts]. (C) 2021 Elsevier B.V. All rights reserved.

HPLC of Formula: C8H8O2. About 3-Methylbenzoic acid, If you have any questions, you can contact Kansiz, S; Qadir, AM; Dege, N; Faizi, SH or concate me.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

In 2020 EUR J MED CHEM published article about MULTIDRUG-RESISTANCE; P-GLYCOPROTEIN; CANCER; REVERSAL; MODULATORS; MECHANISMS; AGENTS; CELLS in [Wan, Qi; Guo, Yalan; Yu, Zhihui; Guo, Shiqi; Chen, Ying] Fudan Univ, Sch Pharm, Dept Med Chem, Shanghai, Peoples R China; [Jin, Xin; Liu, Hongrui] Fudan Univ, Sch Pharm, Dept Pharmacol & Biochem, Shanghai, Peoples R China; [Morris-Natschke, Susan; Lee, Kuo-Hsiung] Univ N Carolina, UNC Eshelman Sch Pharm, Nat Prod Res Labs, Chapel Hill, NC 27599 USA; [Lee, Kuo-Hsiung] China Med Univ & Hosp, Chinese Med Res & Dev Ctr, Taichung 40402, Taiwan in 2020, Cited 21. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Formula: C7H4F2O2

Thirty-four seco-3’R,4’R-disubstituted-2′,2′-dimethyldihydropyrano[2,3-f]chromone (seco-DSP) derivatives were designed, synthesized and evaluated for chemo-reversal activity when combined with paclitaxel or vincristine in P-gp overexpressing A2780/T and KB-VIN drug-resistant cancer cell lines. Most of the compounds displayed moderate to significant MDR reversal activities. Compound 7e showed the most potent chemo-sensitization activity with more than 1471 reversal ratio at a concentration of 10 mu M, which was higher than verapamil (VRP) (212-fold). Unexpectedly the newly synthesized compounds did not show chemosensitization activities in a non-P-gp overexpressing cisplatin resistant human ovarian cancer cell line (A2780/CDDP), implying that the MDR reversal effects might be associated with P-gp overexpression. Moreover, the compounds did not exhibit significant anti-proliferative activities against non-tumorigenic cell lines (HUVEC, HOSEC and T29) compared to VRP at the tested concentration and might be safer than VRP. In preliminary pharmacological mechanism studies, the compounds increased accumulation of DOX and promoted P-gp ATPase activity in A2780/T cell lines. Western blot analysis indicated they did not affect the expression level of P-gp in the tested MDR cell lines. Thus, further studies on these seco-DSP derivatives are merited with the goal of developing a desirable chemosensitizer drug candidate. (C) 2020 Elsevier Masson SAS. All rights reserved.

About 2,6-Difluorobenzoic acid, If you have any questions, you can contact Wan, Q; Jin, X; Guo, YL; Yu, ZH; Guo, SQ; Morris-Natschke, S; Lee, KH; Liu, HR; Chen, Y or concate me.. Formula: C7H4F2O2

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com